1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H25N5O5S — CID 3601216

IUPAC1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(CCc2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C23H25N5O5S/c1-14(13-32-2)33-23(29)19-20-22(27-18-6-4-3-5-17(18)26-20)28(21(19)24)12-11-15-7-9-16(10-8-15)34(25,30)31/h3-10,14H,11-13,24H2,1-2H3,(H2,25,30,31)
InChIKeyUILDLLBRYYNBRS-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.25
Rot. Bonds8

About 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3601216) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3601216
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(CCc2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C23H25N5O5S/c1-14(13-32-2)33-23(29)19-20-22(27-18-6-4-3-5-17(18)26-20)28(21(19)24)12-11-15-7-9-16(10-8-15)34(25,30)31/h3-10,14H,11-13,24H2,1-2H3,(H2,25,30,31)
InChIKeyUILDLLBRYYNBRS-UHFFFAOYSA-N
XLogP2.25
TPSA152.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

[(2S)-butan-2-yl] 2-amino-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7523573
1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3817929
1-methoxypropan-2-yl 2-amino-1-(3-butoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 661540
butan-2-yl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 5179818
1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4029243
[(2R)-1-methoxypropan-2-yl] 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7707255
[(2S)-butan-2-yl] 2-amino-1-propylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 943166
[(2S)-butan-2-yl] 2-amino-1-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2008652
2-amino-1-[2-(4-methoxyphenyl)ethyl]-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 41027235
methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 937953
[(2R)-butan-2-yl] 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 944403
nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3841888

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3601216) is 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is COCC(C)OC(=O)c1c(N)n(CCc2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is UILDLLBRYYNBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-14(13-32-2)33-23(29)19-20-22(27-18-6-4-3-5-17(18)26-20)28(21(19)24)12-11-15-7-9-16(10-8-15)34(25,30)31/h3-10,14H,11-13,24H2,1-2H3,(H2,25,30,31).
What are the key properties of 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 483.55 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3601216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).